CID 513113

1-oxo-5h-pyrido[1,2-a]benzimidazole-2,4-dicarbonitrile

Structural Information

Molecular Formula
C13H6N4O
SMILES
C1=CC=C2C(=C1)NC3=C(C=C(C(=O)N23)C#N)C#N
InChI
InChI=1S/C13H6N4O/c14-6-8-5-9(7-15)13(18)17-11-4-2-1-3-10(11)16-12(8)17/h1-5,16H
InChIKey
OCYOUXGWTLWWDX-UHFFFAOYSA-N
Compound name
1-oxo-5H-pyrido[1,2-a]benzimidazole-2,4-dicarbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.05415 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.06143 165.7
[M+Na]+ 257.04337 178.8
[M-H]- 233.04687 166.5
[M+NH4]+ 252.08797 177.4
[M+K]+ 273.01731 169.9
[M+H-H2O]+ 217.05141 149.0
[M+HCOO]- 279.05235 176.0
[M+CH3COO]- 293.06800 172.5
[M+Na-2H]- 255.02882 167.9
[M]+ 234.05360 158.2
[M]- 234.05470 158.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.